N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine

C19H26N2O2 — CID 86984400

IUPACN-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine
SMILESCCCCOc1cc(CNCCc2cccnc2)ccc1OC
InChIInChI=1S/C19H26N2O2/c1-3-4-12-23-19-13-17(7-8-18(19)22-2)15-21-11-9-16-6-5-10-20-14-16/h5-8,10,13-14,21H,3-4,9,11-12,15H2,1-2H3
InChIKeyVBPDOCRRCRTMLK-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.60
Rot. Bonds10

About N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine

N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine (PubChem CID 86984400) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine
PubChem CID86984400
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine
SMILESCCCCOc1cc(CNCCc2cccnc2)ccc1OC
InChIInChI=1S/C19H26N2O2/c1-3-4-12-23-19-13-17(7-8-18(19)22-2)15-21-11-9-16-6-5-10-20-14-16/h5-8,10,13-14,21H,3-4,9,11-12,15H2,1-2H3
InChIKeyVBPDOCRRCRTMLK-UHFFFAOYSA-N
XLogP3.60
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-butoxy-4-methoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39423559
N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylpropan-1-amine
CID 54804537
1-[2-methoxy-4-[(2-pyridin-3-ylethylamino)methyl]phenoxy]-3-[methyl(propan-2-yl)amino]propan-2-ol
CID 45226604
N-[(4-butoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805178
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrobromide
CID 75531303
2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;hydrochloride
CID 17292499
N-[(5-ethylthiophen-2-yl)methyl]-1-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 119111433
1-[2-methoxy-5-[(3-pyridin-3-ylpropylamino)methyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 45210392
1-(3-butoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine
CID 39369735
1-(3,4-diethoxyphenyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 6473316
1-(azocan-1-yl)-3-[2-methoxy-5-[(3-pyridin-3-ylpropylamino)methyl]phenoxy]propan-2-ol
CID 45238933
N-[(3-ethoxy-4-methoxyphenyl)methyl]pentan-1-amine
CID 4717536

Frequently Asked Questions

What is the IUPAC name of N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine?
The IUPAC name of N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine (CID 86984400) is N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine?
The canonical SMILES for N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine is CCCCOc1cc(CNCCc2cccnc2)ccc1OC.
What is the InChIKey of N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine?
The InChIKey is VBPDOCRRCRTMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-4-12-23-19-13-17(7-8-18(19)22-2)15-21-11-9-16-6-5-10-20-14-16/h5-8,10,13-14,21H,3-4,9,11-12,15H2,1-2H3.
What are the key properties of N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine?
N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine has a molecular weight of 314.43 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butoxy-4-methoxyphenyl)methyl]-2-pyridin-3-ylethanamine is sourced from PubChem (CID 86984400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).